SCHEMBL6863154

SCHEMBL6863154

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.40
MMP8 P22894 3/20 0.40
MMP13 P45452 3/20 0.40
MMP7 P09237 2/20 0.40
MMP12 P39900 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MEP1B Q16820 2/20 0.39
BMP1 P13497 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MMP3 P08254 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6850285 0.90 MMP13 (0.41) MMP1MMP8MMP13MMP7MMP12
SCHEMBL328658 0.90 HSP90AA1 (0.41) MMP13HSP90AA1TDP1CA9GAA
SCHEMBL6851737 0.89 TDP1 (0.41) MMP1MMP8MMP13MMP7MMP12
SCHEMBL328646 0.89 MMP13 (0.46) MMP1MMP8MMP13MMP7MMP12
SCHEMBL328493 0.86 TDP1 (0.44) MMP1MMP8MMP13MMP7MMP12
SCHEMBL328492 0.84 MMP1 (0.42) MMP1MMP8MMP13MMP7MMP12
SCHEMBL328649 0.83 MMP1 (0.44) MMP1MMP8MMP13MMP7MMP12
SCHEMBL6863166 0.83 MMP1 (0.40) MMP1MMP8MMP13MMP7MMP12
SCHEMBL328404 0.83 BMP1 (0.43) MMP1MMP8MMP13MMP7MMP12
SCHEMBL6863618 0.83 MMP1 (0.45) MMP1MMP8MMP13MMP7MMP12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed